5-(furan-2-yl)-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1H-pyrazole-3-carboxamide

C20H24N6O3 — CID 90492065

IUPAC5-(furan-2-yl)-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(OCCNC(=O)c2cc(-c3ccco3)[nH]n2)cc(N2CCCCC2)n1
InChIInChI=1S/C20H24N6O3/c1-14-22-18(26-8-3-2-4-9-26)13-19(23-14)29-11-7-21-20(27)16-12-15(24-25-16)17-6-5-10-28-17/h5-6,10,12-13H,2-4,7-9,11H2,1H3,(H,21,27)(H,24,25)
InChIKeyOWWRILSMNVNHBB-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.57
Rot. Bonds7

About 5-(furan-2-yl)-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1H-pyrazole-3-carboxamide (PubChem CID 90492065) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1H-pyrazole-3-carboxamide
PubChem CID90492065
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name5-(furan-2-yl)-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(OCCNC(=O)c2cc(-c3ccco3)[nH]n2)cc(N2CCCCC2)n1
InChIInChI=1S/C20H24N6O3/c1-14-22-18(26-8-3-2-4-9-26)13-19(23-14)29-11-7-21-20(27)16-12-15(24-25-16)17-6-5-10-28-17/h5-6,10,12-13H,2-4,7-9,11H2,1H3,(H,21,27)(H,24,25)
InChIKeyOWWRILSMNVNHBB-UHFFFAOYSA-N
XLogP2.57
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide
CID 90492267
3-chloro-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491961
2-methoxy-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492269
2,4-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491866
2-(4-methoxyphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90492141
4-butoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491896
4-acetamido-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492069
2,3-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491865
2-chloro-6-fluoro-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492135
2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90492143
7-methoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1-benzofuran-2-carboxamide
CID 90492054
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1H-pyrazole-3-carboxamide (CID 90492065) is 5-(furan-2-yl)-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1H-pyrazole-3-carboxamide is Cc1nc(OCCNC(=O)c2cc(-c3ccco3)[nH]n2)cc(N2CCCCC2)n1.
What is the InChIKey of 5-(furan-2-yl)-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is OWWRILSMNVNHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-14-22-18(26-8-3-2-4-9-26)13-19(23-14)29-11-7-21-20(27)16-12-15(24-25-16)17-6-5-10-28-17/h5-6,10,12-13H,2-4,7-9,11H2,1H3,(H,21,27)(H,24,25).
What are the key properties of 5-(furan-2-yl)-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 90492065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).